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Triterpenos

Compuestos con un esqueleto de carbono a base de seis unidades de isopreno que se derivan biosintéticamente del hidrocarburo C30 acíclico, el escualeno. Tienen estructuras cíclicas relativamente complejas, la mayoría de las cuales son alcoholes, aldehídos o ácidos carboxílicos.
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1

Ácido oleanoico, 97 %, Thermo Scientific Chemicals

CAS: 508-02-1 Fórmula molecular: C30H48O3 Peso molecular (g/mol): 456.7 Clave InChI: MIJYXULNPSFWEK-GTOFXWBISA-N Sinónimo: oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid PubChem CID: 10494 ChEBI: CHEBI:37659 Nombre IUPAC: ácido (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hidroxi-2,2,6a,6b,9,9,12a-heptametil-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahidropiceno-4a-carboxílico SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

Sinónimo oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid
Clave InChI MIJYXULNPSFWEK-GTOFXWBISA-N
PubChem CID 10494
Fórmula molecular C30H48O3
CAS 508-02-1
ChEBI CHEBI:37659
Peso molecular (g/mol) 456.7
SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
Nombre IUPAC ácido (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hidroxi-2,2,6a,6b,9,9,12a-heptametil-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahidropiceno-4a-carboxílico
2

Thermo Scientific Chemicals Ácido betulínico

CAS: 472-15-1 Fórmula molecular: C30H48O3 Peso molecular (g/mol): 456.71 Clave InChI: QGJZLNKBHJESQX-FZFNOLFKSA-N PubChem CID: 64971 ChEBI: CHEBI:3087

Clave InChI QGJZLNKBHJESQX-FZFNOLFKSA-N
PubChem CID 64971
Fórmula molecular C30H48O3
CAS 472-15-1
ChEBI CHEBI:3087
Peso molecular (g/mol) 456.71
4

Forskolina (de Coleus Forskohlii), Fisher BioReagents

CAS: 66575-29-9 Fórmula molecular: C22H34O7 Peso molecular (g/mol): 410.507 Clave InChI: OHCQJHSOBUTRHG-KGGHGJDLSA-N Sinónimo: forskolin,colforsin,coleonol,colforsina,colforsine,colforsinum,boforsin,colforsine french,colforsinum latin,colforsina spanish PubChem CID: 47936 ChEBI: CHEBI:42471 Nombre IUPAC: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-etenil-6,10,10b-trihidroxi-3,4a,7,7,10a-pentametil-1-oxo-5,6,6a,8,9,10-hexahidro-2H-benzo[f]cromen-5-il] acetato SMILES: CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O

Sinónimo forskolin,colforsin,coleonol,colforsina,colforsine,colforsinum,boforsin,colforsine french,colforsinum latin,colforsina spanish
Clave InChI OHCQJHSOBUTRHG-KGGHGJDLSA-N
PubChem CID 47936
Fórmula molecular C22H34O7
CAS 66575-29-9
ChEBI CHEBI:42471
Peso molecular (g/mol) 410.507
SMILES CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
Nombre IUPAC [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-etenil-6,10,10b-trihidroxi-3,4a,7,7,10a-pentametil-1-oxo-5,6,6a,8,9,10-hexahidro-2H-benzo[f]cromen-5-il] acetato
5

Escualeno, > 98%, MP Biomedicals™

CAS: 111-02-4 Fórmula molecular: C30H50 Peso molecular (g/mol): 410.73 Clave InChI: YYGNTYWPHWGJRM-AAJYLUCBSA-N Sinónimo: squalene,trans-squalene,spinacene,supraene,all-trans-squalene,2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene,e,e,e,e-squalene,unii-7qwm220fjh,7qwm220fjh,spinacen PubChem CID: 638072 ChEBI: CHEBI:15440 Nombre IUPAC: (6E,10E,14E,18E)-2,6,10,15,19,23-hexametiltetracosa-2,6,10,14,18,22-hexaeno SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C

Sinónimo squalene,trans-squalene,spinacene,supraene,all-trans-squalene,2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene,e,e,e,e-squalene,unii-7qwm220fjh,7qwm220fjh,spinacen
Clave InChI YYGNTYWPHWGJRM-AAJYLUCBSA-N
PubChem CID 638072
Fórmula molecular C30H50
CAS 111-02-4
ChEBI CHEBI:15440
Peso molecular (g/mol) 410.73
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Nombre IUPAC (6E,10E,14E,18E)-2,6,10,15,19,23-hexametiltetracosa-2,6,10,14,18,22-hexaeno
6

Escualano, 99 %, Thermo Scientific Chemicals

CAS: 111-01-3 Clave InChI: PRAKJMSDJKAYCZ-UHFFFAOYSA-N Sinónimo: squalane,perhydrosqualene,dodecahydrosqualene,cosbiol,vitabiosol,spinacane,robane,hexamethyltetracosane,tetracosane, 2,6,10,15,19,23-hexamethyl,hexamethyl tetracosane PubChem CID: 8089 Nombre IUPAC: 2,6,10,15,19,23-hexametiltetracosano SMILES: CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C

EDGE
Sinónimo squalane,perhydrosqualene,dodecahydrosqualene,cosbiol,vitabiosol,spinacane,robane,hexamethyltetracosane,tetracosane, 2,6,10,15,19,23-hexamethyl,hexamethyl tetracosane
Clave InChI PRAKJMSDJKAYCZ-UHFFFAOYSA-N
PubChem CID 8089
CAS 111-01-3
SMILES CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
Nombre IUPAC 2,6,10,15,19,23-hexametiltetracosano
7

Escualeno, 97 %, Thermo Scientific Chemicals

CAS: 111-02-4 Fórmula molecular: C30H50 Peso molecular (g/mol): 410.73 Número MDL: MFCD00008912 Clave InChI: YYGNTYWPHWGJRM-AAJYLUCBSA-N Sinónimo: squalene,trans-squalene,spinacene,supraene,all-trans-squalene,2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene,e,e,e,e-squalene,unii-7qwm220fjh,7qwm220fjh,spinacen PubChem CID: 638072 ChEBI: CHEBI:15440 Nombre IUPAC: (6E,10E,14E,18E)-2,6,10,15,19,23-hexametiltetracosa-2,6,10,14,18,22-hexaeno SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C

Sinónimo squalene,trans-squalene,spinacene,supraene,all-trans-squalene,2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene,e,e,e,e-squalene,unii-7qwm220fjh,7qwm220fjh,spinacen
Clave InChI YYGNTYWPHWGJRM-AAJYLUCBSA-N
PubChem CID 638072
Fórmula molecular C30H50
CAS 111-02-4
ChEBI CHEBI:15440
Peso molecular (g/mol) 410.73
Número MDL MFCD00008912
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Nombre IUPAC (6E,10E,14E,18E)-2,6,10,15,19,23-hexametiltetracosa-2,6,10,14,18,22-hexaeno
8

Ácido 18-β-glicirretínico, 98+ %, Thermo Scientific Chemicals

CAS: 471-53-4 Fórmula molecular: C30H46O4 Peso molecular (g/mol): 470.69 Número MDL: MFCD00003706,MFCD00066716 Clave InChI: MPDGHEJMBKOTSU-YKLVYJNSSA-N Sinónimo: enoxolone,glycyrrhetinic acid,uralenic acid,glycyrrhetic acid,18-beta-glycyrrhetinic acid,glycyrrhetin,arthrodont,jintan,18beta-glycyrrhetinic acid,rhetinic acid PubChem CID: 10114 ChEBI: CHEBI:30853 Nombre IUPAC: ácido (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hidroxi-2,4a,6a,6b,9,9,12a-heptametil-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahidro-1H-piceno-2-carboxílico SMILES: CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O

Sinónimo enoxolone,glycyrrhetinic acid,uralenic acid,glycyrrhetic acid,18-beta-glycyrrhetinic acid,glycyrrhetin,arthrodont,jintan,18beta-glycyrrhetinic acid,rhetinic acid
Clave InChI MPDGHEJMBKOTSU-YKLVYJNSSA-N
PubChem CID 10114
Fórmula molecular C30H46O4
CAS 471-53-4
ChEBI CHEBI:30853
Peso molecular (g/mol) 470.69
Número MDL MFCD00003706,MFCD00066716
SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
Nombre IUPAC ácido (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hidroxi-2,4a,6a,6b,9,9,12a-heptametil-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahidro-1H-piceno-2-carboxílico
9

Escualeno, 99+ %, Thermo Scientific Chemicals

CAS: 111-02-4 Fórmula molecular: C30H50 Peso molecular (g/mol): 410.73 Número MDL: MFCD00008912 Clave InChI: YYGNTYWPHWGJRM-AAJYLUCBSA-N Sinónimo: squalene,trans-squalene,spinacene,supraene,all-trans-squalene,2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene,e,e,e,e-squalene,unii-7qwm220fjh,7qwm220fjh,spinacen PubChem CID: 638072 ChEBI: CHEBI:15440 Nombre IUPAC: (6E,10E,14E,18E)-2,6,10,15,19,23-hexametiltetracosa-2,6,10,14,18,22-hexaeno SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C

Sinónimo squalene,trans-squalene,spinacene,supraene,all-trans-squalene,2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene,e,e,e,e-squalene,unii-7qwm220fjh,7qwm220fjh,spinacen
Clave InChI YYGNTYWPHWGJRM-AAJYLUCBSA-N
PubChem CID 638072
Fórmula molecular C30H50
CAS 111-02-4
ChEBI CHEBI:15440
Peso molecular (g/mol) 410.73
Número MDL MFCD00008912
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Nombre IUPAC (6E,10E,14E,18E)-2,6,10,15,19,23-hexametiltetracosa-2,6,10,14,18,22-hexaeno
10

Escualeno, 98 %, Thermo Scientific Chemicals

CAS: 111-01-3 Fórmula molecular: C30H62 Peso molecular (g/mol): 422.826 Número MDL: MFCD00008953 Clave InChI: PRAKJMSDJKAYCZ-UHFFFAOYSA-N Sinónimo: squalane,perhydrosqualene,dodecahydrosqualene,cosbiol,vitabiosol,spinacane,robane,hexamethyltetracosane,tetracosane, 2,6,10,15,19,23-hexamethyl,hexamethyl tetracosane PubChem CID: 8089 Nombre IUPAC: 2,6,10,15,19,23-hexametiltetracosano SMILES: CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C

Sinónimo squalane,perhydrosqualene,dodecahydrosqualene,cosbiol,vitabiosol,spinacane,robane,hexamethyltetracosane,tetracosane, 2,6,10,15,19,23-hexamethyl,hexamethyl tetracosane
Clave InChI PRAKJMSDJKAYCZ-UHFFFAOYSA-N
PubChem CID 8089
Fórmula molecular C30H62
CAS 111-01-3
Peso molecular (g/mol) 422.826
Número MDL MFCD00008953
SMILES CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
Nombre IUPAC 2,6,10,15,19,23-hexametiltetracosano
11

Forskolina, (de Coleus forskohlii), MP Biomedicals™

CAS: 66575-29-9 Fórmula molecular: C22H34O7 Peso molecular (g/mol): 410.507 Número MDL: MFCD00082317 Clave InChI: OHCQJHSOBUTRHG-KGGHGJDLSA-N Sinónimo: forskolin,colforsin,coleonol,colforsina,colforsine,colforsinum,boforsin,colforsine french,colforsinum latin,colforsina spanish PubChem CID: 47936 ChEBI: CHEBI:42471 Nombre IUPAC: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-etenil-6,10,10b-trihidroxi-3,4a,7,7,10a-pentametil-1-oxo-5,6,6a,8,9,10-hexahidro-2H-benzo[f]cromen-5-il] acetato SMILES: CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O

Sinónimo forskolin,colforsin,coleonol,colforsina,colforsine,colforsinum,boforsin,colforsine french,colforsinum latin,colforsina spanish
Clave InChI OHCQJHSOBUTRHG-KGGHGJDLSA-N
PubChem CID 47936
Fórmula molecular C22H34O7
CAS 66575-29-9
ChEBI CHEBI:42471
Peso molecular (g/mol) 410.507
Número MDL MFCD00082317
SMILES CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
Nombre IUPAC [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-etenil-6,10,10b-trihidroxi-3,4a,7,7,10a-pentametil-1-oxo-5,6,6a,8,9,10-hexahidro-2H-benzo[f]cromen-5-il] acetato
12

Ácido oleanólico, 98,4% (HPLC), MP Biomedicals

CAS: 508-02-1 Fórmula molecular: C30H48O3 Peso molecular (g/mol): 456.711 Clave InChI: MIJYXULNPSFWEK-GTOFXWBISA-N Sinónimo: oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid PubChem CID: 10494 ChEBI: CHEBI:37659 Nombre IUPAC: ácido (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hidroxi-2,2,6a,6b,9,9,12a-heptametil-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahidropiceno-4a-carboxílico SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

Sinónimo oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid
Clave InChI MIJYXULNPSFWEK-GTOFXWBISA-N
PubChem CID 10494
Fórmula molecular C30H48O3
CAS 508-02-1
ChEBI CHEBI:37659
Peso molecular (g/mol) 456.711
SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
Nombre IUPAC ácido (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hidroxi-2,2,6a,6b,9,9,12a-heptametil-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahidropiceno-4a-carboxílico
15

Carbenoxolona Disodio, TRC

CAS: 7421-40-1 Fórmula molecular: C34 H48 O7 . 2 Na Peso molecular (g/mol): 614.72 Sinónimo: Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, sodium salt (1:2), (3β,20β)-,Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, disodium salt, (3β,20β)- (9CI),Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, hydrogen succinate, disodium salt (7CI,8CI),3-(Succinyloxy)glycyrrhetic acid disodium salt,Bioral,Carbenoxalone disodium salt,Carbenoxalone sodium,Carbenoxolone disodium,Carbenoxolone disodium salt,Carbenoxolone sodium,Carbenoxolone sodium salt,Disodium glycyrrhetic acid hemisuccinate,Disodium glycyrrhetinyl succinate,Duogastrone,Glycyrrhetic acid hydrosuccinate disodium salt,Glycyrrhetinic acid hydrogen succinate disodium salt,Glycyrrhetinic acid succinate disodium salt,Neogel,Pyrogastrone,Sanodin,Sodium carbenoxolone,Ulcus-Tablinen Nombre IUPAC: disodio; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxilatopropanoiloxi)-2,4a,6a,6b,9,12a-heptametil-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahidro-1H-piceno-2-carboxilato SMILES: [Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)[O-])OC(=O)CCC(=O)[O-]

Sinónimo Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, sodium salt (1:2), (3β,20β)-,Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, disodium salt, (3β,20β)- (9CI),Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, hydrogen succinate, disodium salt (7CI,8CI),3-(Succinyloxy)glycyrrhetic acid disodium salt,Bioral,Carbenoxalone disodium salt,Carbenoxalone sodium,Carbenoxolone disodium,Carbenoxolone disodium salt,Carbenoxolone sodium,Carbenoxolone sodium salt,Disodium glycyrrhetic acid hemisuccinate,Disodium glycyrrhetinyl succinate,Duogastrone,Glycyrrhetic acid hydrosuccinate disodium salt,Glycyrrhetinic acid hydrogen succinate disodium salt,Glycyrrhetinic acid succinate disodium salt,Neogel,Pyrogastrone,Sanodin,Sodium carbenoxolone,Ulcus-Tablinen
Fórmula molecular C34 H48 O7 . 2 Na
CAS 7421-40-1
Peso molecular (g/mol) 614.72
SMILES [Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)[O-])OC(=O)CCC(=O)[O-]
Nombre IUPAC disodio; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxilatopropanoiloxi)-2,4a,6a,6b,9,12a-heptametil-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahidro-1H-piceno-2-carboxilato